COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534613
Chemical Name: (3S)-N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1

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Saltdata: HCl
Molecular Weight: 429.48
Empirical Formula: C25H23N3O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.133
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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